小分子体系势能面的构建

小分子体系动力学研究

化学激光研究

（1） 四原子反应体系Cl + HOD → HCl + OD的态-态微分截面, 科学通报, 2025, 第 1 作者

（2） Effects of reagent rotational excitation on OH plus HCI→CI+H2O reaction, CHINESE JOURNAL OF CHEMICAL PHYSICS, 2024, 第 1 作者

（3） High vibrational excitation of the reagent transforms the late-barrier H + HOD reaction into an early-barrier reaction, J. Chem. Phys., 2024, 第 1 作者

（4） Differential Cross-Sections for the Vibrationally Excited H + HOD(vOH = 1−4) → H2 + OD Reactions, The Journal of Physical Chemistry A, 2024, 第 1 作者

（5） Differential Cross Sections for the H + H2S → H2 + SH Reaction: A Full-Dimensional State-to-State Quantum Dynamics Study, The Journal of Physical Chemistry A, 2023, 第 1 作者

（6） Strong non-Arrhenius behavior at low temperatures in the OH plus HCl -> H2O + Cl reaction due to resonance induced quantum tunneling, CHEMICAL SCIENCE, 2022, 第 1 作者

（7） A neural network potential energy surface for the F + H2O ↔ HF + OH reaction and quantum dynamics study of the isotopic effect, Physical Chemistry Chemical Physics, 2021, 第 3 作者

（8） A quantum wave packet study of the H + Br2 → HBr + Br reaction on a new ab initio potential energy surface, Russian Journal of Physical Chemistry A, 2021, 第 3 作者  通讯作者

（9） State-to-State Quantum Dynamical Study of H + Br2 → HBr + Br Reaction, Chinese Journal of Chemical Physics, 2021, 第 3 作者  通讯作者

（10） Quantum interference in H + HD → H2 + D between direct abstraction and roaming insertion pathways, science, 2020, 第 6 作者

（11） An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum dynamics study for the H-2 + HS -> H2S + H reaction, JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 第 1 作者

（12） A neural network potential energy surface for the F + CH4 reaction including multiple channels based on coupled cluster theory, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 第 2 作者

（13） Direct observation of forward-scattering oscillations in the H+HD -> H-2+D reaction, NATURE CHEMISTRY, 2018, 第 7 作者

（14） Global Potential Energy Surface for the H+CH4 H-2+CH3 Reaction using Neural Networks, CHINESE JOURNAL OF CHEMICAL PHYSICS, 2014, 第 1 作者

（15） Communication: An accurate global potential energy surface for the OH + CO → H + CO2 reaction using neural networks, JOURNAL OF CHEMICAL PHYSICS, 2013, 第 2 作者

（16） A global potential energy surface for the H-2 + OH H2O + H reaction using neural networks, JOURNAL OF CHEMICAL PHYSICS, 2013, 第 2 作者

（17） D+C(CH3)(4) -> HD (v ', j ')+C(CH3)(3)CH2: possible concerted flow of vibration energy into translation, MOLECULAR PHYSICS, 2012, 第 5 作者

（18） The dynamics of the D2 + OH → HOD + D reaction: A combined theoretical and experimental study, Faraday Discussion 157: Molecular Reaction Dynamics in Gases, Liquids and Interfaces, 2012, 第 6 作者

（19） A full-dimensional time-dependent wave packet study of the OH+CO -> H+CO2 reaction, THEORETICAL CHEMISTRY ACCOUNTS, 2012, 第 2 作者

（20） State-to-state differential cross-sections for the reactive scattering of H*(n) with o-D-2, CHEMICAL SCIENCE, 2012, 第 4 作者

（21） Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD+OH -> H2O+D, SCIENCE, 2011, 第 2 作者